SCHEMBL28425842

SCHEMBL28425842

CC(C)(C)OC(=O)N1CCC(COC(=O)Nc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ PTPN6 P29350 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ RIN1 Q13671 1/20 0.53
▸ BCHE P06276 5/20 0.50
▸ MAOB P27338 3/20 0.50
▸ ACHE P22303 3/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ FPR2 P25090 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ GPR119 Q8TDV5 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LIMK2 P53671 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28423672 0.90 PTPN2 (0.53) PTPN2PTPN1PTPN6KDM4EPKM
SCHEMBL19173097 0.83 NAMPT (0.51) PTPN2PTPN1PTPN6KDM4EPKM
SCHEMBL65285 0.81 GPR119 (0.59) KDM4EPKMKMT2AGPR119
SCHEMBL17202799 0.80 EPHX2 (0.48) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL19173146 0.79 GPR119 (0.53) PTPN2PTPN1PTPN6BCHEMAOB
SCHEMBL6227709 0.79 PTPN2 (0.50) PTPN2PTPN1PTPN6KDM4EPKM
SCHEMBL4010884 0.79 CA12 (0.69) PTPN2PTPN1PTPN6ABL1RIN1
SCHEMBL17832684 0.78 ALDH1A1 (0.73) PTPN2PTPN1PTPN6KDM4EPKM
SCHEMBL1252952 0.78 KDM4E (0.57) KDM4EPKMKMT2AGPR119MAPT
SCHEMBL6205109 0.77 KDM4E (0.52) KDM4EPKMGPR119MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423434-A Carbonamide derivative and preparation method thereof 四川海思科制药有限公司 2020-07-17 — — CN disclosed
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